4-methyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]pentanoic acid Openeye Name: 2-(3-benzoylsulfanylpropanoylamino)-4-methyl-pentanoic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-(3-benzoylsulfanylpropanoylamino)-4-methylpentanoic acid Traditional Name: 2-[3-(benzoylthio)propanoylamino]-4-methyl-valeric acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO4S/c1-11(2)10-13(15(19)20)17-14(18)8-9-22-16(21)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,18)(H,19,20)